(3-fluorophenyl)methanesulfonyl chloride

C7H6ClFO2S — CID 2759107

IUPAC(3-fluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(F)c1
InChIInChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKeyQKGIPEQAFOXGSI-UHFFFAOYSA-N
MW208.64 g/mol
LogP1.89
Rot. Bonds2

About (3-fluorophenyl)methanesulfonyl chloride

(3-fluorophenyl)methanesulfonyl chloride (PubChem CID 2759107) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is (3-fluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-fluorophenyl)methanesulfonyl chloride
PubChem CID2759107
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name(3-fluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(F)c1
InChIInChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKeyQKGIPEQAFOXGSI-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
Benzylsulfonic acid
CID 7532
Benzenemethanesulfonamide
CID 78318
Phenylmethanesulfonyl chloride
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p-Fluorotoluene-alpha-thiol
CID 85171
Phenylmethanesulfinic acid
CID 3311411
alpha-(Methylsulphonyl)toluene
CID 76562
Sulfinylmethylbenzene
CID 639688
Phenyldifluoromethanesulfonamide
CID 12195854
Potassium Xylenesulfonate
CID 23689308
N-Benzylsulfonylhydroxylamin
CID 23645541
Benzeneethanesulfonamide
CID 204808

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-fluorophenyl)methanesulfonyl chloride (CID 2759107) is (3-fluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-fluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-fluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methanesulfonyl chloride?
The InChIKey is QKGIPEQAFOXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5H2.
What are the key properties of (3-fluorophenyl)methanesulfonyl chloride?
(3-fluorophenyl)methanesulfonyl chloride has a molecular weight of 208.64 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 2759107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).